N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine

C10H21NO3S — CID 131919389

IUPACN-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCOCC1(CNC(C)CS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO3S/c1-9(6-15(3,12)13)11-7-10(4-5-10)8-14-2/h9,11H,4-8H2,1-3H3
InChIKeyOABTVDWVFMLUOU-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.44
Rot. Bonds7

About N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine

N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 131919389) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
PubChem CID131919389
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCOCC1(CNC(C)CS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO3S/c1-9(6-15(3,12)13)11-7-10(4-5-10)8-14-2/h9,11H,4-8H2,1-3H3
InChIKeyOABTVDWVFMLUOU-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine (CID 131919389) is N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine is COCC1(CNC(C)CS(C)(=O)=O)CC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is OABTVDWVFMLUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(6-15(3,12)13)11-7-10(4-5-10)8-14-2/h9,11H,4-8H2,1-3H3.
What are the key properties of N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 131919389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).